SCHEMBL4056572

SCHEMBL4056572

CCOC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 14/20 0.57
PIK3CG P48736 14/20 0.57
PIK3CD O00329 14/20 0.57
PIK3CA P42336 13/20 0.57
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
ABL2 P42684 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CSNK1D P48730 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4224004 0.88 PIK3CA (0.74) PIK3CBPIK3CGPIK3CDPIK3CAPOLB
SCHEMBL1749438 0.87 PIK3CB (0.55) PIK3CBPIK3CGPIK3CDPIK3CACSNK1D
SCHEMBL1749439 0.87 PIK3CB (0.55) PIK3CBPIK3CGPIK3CDPIK3CACSNK1D
SCHEMBL1749660 0.76 PIK3CA (0.66) PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL1750563 0.76 PIK3CB (0.70) PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL301214 0.75 PIK3CB (0.80) PIK3CBPIK3CGPIK3CDPIK3CATP53
SCHEMBL300841 0.75 PIK3CB (0.80) PIK3CBPIK3CGPIK3CDPIK3CATP53
SCHEMBL301311 0.74 PIK3CB (0.85) PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL300949 0.74 PIK3CB (1.00) PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL301238 0.73 PIK3CB (0.98) PIK3CBPIK3CGPIK3CDPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed